scholarly journals Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Christoph Krebs ◽  
Magdalena Ceglarska ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Site Symmetry ◽  
Synthesis And Crystal Structure ◽  
Thiocyanate Ion ◽  
Dimensional Network ◽  
Anionic Ligands ◽  
Stretching Vibration ◽  
Solvent Molecules

The crystal structure of the title solvated coordination compound, [Co(NCS)2(C6H12N4)2(H2O)2]·2C6H12N4·2C2H3N, consists of discrete complexes in which the Co2+ cations (site symmetry \overline{1}) are sixfold coordinated by two N-bonded thiocyanate anions, two water molecules and two hexamethylenetetramine (HMT) molecules to generate distorted trans-CoN4O2 octahedra. The discrete complexes are each connected by two HMT solvate molecules into chains via strong O—H...N hydrogen bonds. These chains are further linked by additional O—H...N and C—H...N and C—H...S hydrogen bonds into a three-dimensional network. Within this network, channels are formed that propagate along the c-axis direction and in which additional acetonitrile solvent molecules are embedded, which are hydrogen bonded to the network. The CN stretching vibration of the thiocyanate ion occurs at 2062 cm−1, which is in agreement with the presence of N-bonded anionic ligands. XRPD investigations prove the formation of the title compound as the major phase accompanied by a small amount of a second unknown phase.

scholarly journals Synthesis and crystal structure of a new hybrid organic–inorganic material containing neutral molecules, cations and heptamolybdate anions

2019 ◽  
Vol 75 (7) ◽  
pp. 1001-1004 ◽  
Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Wally Diallo ◽  
Cheikh Abdoul Khadir Diop ◽  
Mamadou Sidibe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Acid Solution ◽  
Inorganic Material ◽  
Three Dimensional ◽  
Cluster Anion ◽  
Water Molecules ◽  
Ammonium Heptamolybdate ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network

The title compound, hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate 2-methyl-1H-imidazole disolvate dihydrate, (C4H7N2)6[Mo7O24]·2C4H6N2·2H2O, was prepared from 2-methylimidazole and ammonium heptamolybdate tetrahydrate in acid solution. The [Mo7O24]6− heptamolybdate cluster anion is accompanied by six protonated (C4H7N2)+ 2-methylimidazolium cations, two neutral C4H6N2 2-methylimidazole molecules and two water molecules of crystallization. The cluster consists of seven distorted MoO6 octahedra sharing edges or vertices. In the crystal, the components are linked by N—H...N, N—H...O, O—H...O, N—H...(O,O) and O—H...(O,O) hydrogen bonds, generating a three-dimensional network. Weak C—H...O interactions consolidate the packing.

scholarly journals Ionothermal synthesis and crystal structure of a new organic–inorganic hybrid compound:catena-poly[bis(1-ethyl-3-methylimidazolium) [hepta-μ-bromido-pentacuprate(I)]]

2014 ◽  
Vol 70 (11) ◽  
pp. 1021-1024
Author(s):  
Ljiljana Karanović ◽  
Dejan Poleti ◽  
Tamara Đorđević
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Site Symmetry ◽  
Small Contribution ◽  
Hybrid Compound ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Inorganic Hybrid ◽  
Dimensional Network

A new organic–inorganic hybrid compound,catena-poly[bis(1-ethyl-3-methylimidazolium) [μ5-bromido-tri-μ3-bromido-tri-μ2-bromido-pentacuprate(I)]], {(C6H11N2)2[Cu5Br7]}n, has been obtained under ionothermal conditions from a reaction mixture containing Ba(OH)2·8H2O, Cu(OH)2·2H2O, As2O5, 1-ethyl-3-methylimidazolium bromide and distilled water. The crystal structure consists of complex [Cu5Br7]2−anions arranged in sinusoidal {[Cu5Br7]2−}nchains running along theaaxis, which are surrounded by 1-ethyl-3-methylimidazolium cations. Three of the five unique Br atoms and one of the three CuIatoms occupy special positions with half-occupancy (a mirror plane perpendicular to thebaxis, site symmetrym). The CuIions are in a distorted tetrahedral coordination environment, with four Br atoms at distances ranging from 2.3667 (10) to 2.6197 (13) Å, and an outlier at 3.0283 (12) Å, exceptionally elongated and with a small contribution to the bond-valence sum of only 6.7%. Short C—H...Br contacts build up a three-dimensional network. The Cu...Cu distances within the chain range from 2.8390 (12) to 3.0805 (17) Å, indicating the existence of weak CuI...CuIcuprophilic interactions.

scholarly journals Crystal structure and features of 3′,8-dibenzylidene-4a,5,6,7,8,8a-hexahydro-2′H-spiro[chromene-2,1′-cyclohexan]-2′-one

2017 ◽  
Vol 73 (11) ◽  
pp. 1622-1625
Author(s):  
Alexander Anis'kov ◽  
Vyacheslav Grinev ◽  
Irina Klochkova
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
Dimensional Network

The synthesis and crystal structure of the title compound, C28H28O2, are reported. The C=C—C—C torsion angles in the phenylmethylidene units are 166.6 (3) and −48.0 (4)°. In the crystal, molecules form a three-dimensional network by means of weak C—H...O hydrogen bonds. The most important contributions to the crystal structure are the H...H interactions (68.8%), while the H...O contacts account for 4.5%.

scholarly journals Synthesis and Crystal Structure of 3-3’-Diaminomethyldipropylammonium Hexachlorobismuthate (III)

2016 ◽  
Vol 8 (1) ◽  
pp. 1500-1507
Author(s):  
Yosra Baklouti ◽  
Abdelaziz Koumina ◽  
Mohamed Fliyou ◽  
Fatma Zouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Organic Layers ◽  
Triclinic System ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Synthesis and crystal structure of 3-3’-diamino-N-methyldipropylammonuim hexachlorobismuthate (III) are reported. The compound crystallizes in the triclinic system with space group P1. The unit cell dimensions are:             a = 7.5580(5), b =7.8710(6), c = 8.3709(7) Å with Z=1. The crystal is built up of separated [BiCl6]3- octahedral anions and 3-3’-diamino-N- methyldipropylammonium cations. The organic layers are arranged in sandwich between the anionic ones. The crystal packing is governed by means of the ionic   N–H···Cl hydrogen bonds, forming a three dimensional network.

scholarly journals Crystal structure of tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoIIcation, two thiocyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent molecule. The CoIIcations are octahedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thiocyanate anions. These discrete complexes are linked by intermolecular N—H...O and N—H...S hydrogen-bonding interactions into a three-dimensional network. The two isonicotinamide and the ethanol solvent molecules are embedded in channels of this network and are linked through further N—H...O and N—H...N hydrogen bonds to the network. The ethanol solvent molecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

scholarly journals Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Yasmina Homrani ◽  
Abdelaziz Dahdouh ◽  
Mohamed Amin El Amrani ◽  
Pauline Loxq ◽  
Frédéric Capet ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nickel Complex ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Oxime Ligand

A dinuclear nickel complex with (S)-limonene based aminooxime ligand has been isolated and its crystal structure determined. The resolved structure of dichloridobis{(2S,5R)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II), [Ni2Cl2(C16H23ClN3O)2], at 100 K has monoclinic (P21) symmetry. The two NiII ions in the dinuclear complex are each coordinated in a distorted octahedral environment by three nitrogen atoms, a terminal chloride and two μ bridging chlorides. Each oxime ligand is coordinated to nickel(II) by the three nitrogen atoms, leading to two five-membered chelate rings, each displaying an envelope conformation. In the crystal, numerous intermolecular and intramolecular hydrogen bonds lead to the formation of a three-dimensional network structure.

scholarly journals Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate

2017 ◽  
Vol 73 (4) ◽  
pp. 463-466 ◽  
Author(s):  
Aleksej Jochim ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Coordination Polyhedron ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2, comprises one FeIIcation occupying an inversion centre as well as one thiocyanate anion, one water molecule and two 4-cyanopyridine molecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyanopyridine ligands and two water molecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octahedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C—H...N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through intermolecular O—H...N hydrogen bonds involving the 4-cyanopyridine solvent molecules.

scholarly journals Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate

2020 ◽  
Vol 76 (10) ◽  
pp. 1587-1590
Author(s):  
Holger Lars Deubner ◽  
Marcel Koester ◽  
Carsten von Haenisch ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Low Temperature ◽  
Ethylene Glycol ◽  
Network Structure ◽  
Three Dimensional ◽  
Uranium Atom ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network ◽  
Solvent Molecules

Triethylammonium hexabromidouranate(IV) dichloromethane monosolvate, [(C2H5)3NH]2[UBr6]·CH2Cl2, was obtained in the form of dark-brown crystals from the reaction of uranium pentabromide with NEt3 and ethylene glycol in dichloromethane at low temperature. During the progress of the reaction, the reduction of uranium(V) to uranium(IV) was observed, whose associated oxidation product could not be identified. The uranium atom of the [UBr6]2– anion is coordinated by six bromido ligands in the shape of an octahedron. Between cations, anion and solvent molecules of crystallization, numerous C—H...Hal hydrogen-bond-like interactions are present, leading to a three-dimensional network structure.

scholarly journals Synthesis and crystal structure of a two-dimensional CoIIcoordination polymer: poly[(μ3-3-carboxybenzoato)[μ2-5-(pyridin-4-yl)-1H,2′H-3,3′-bi[1,2,4-triazole]]cobalt(II)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1779-1781
Author(s):  
Chao-Jun Du ◽  
Xiao-Na Zhao ◽  
Bao-Yong Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
A Chain

In the title compound, [Co(C8H5O4)(C9H6N7)]n, the divalent CoIIatom is six-coordinated to three N atoms from two symmetrical 5-(pyridin-4-yl)-1H,2′H-3,3′-bi[1,2,4-triazole] (H2pyttz) ligands and three O atoms from three symmetrical 3-carboxybenzoate (Hbdic) ligands, leading to a distorted {CoN3O3} octahedral coordination environment. Two CoIIcations are linked by four bridging carboxylate groups to generate a dinuclear [Co2(CO2)4] unit. The dinuclear units are further connected into a chain along [010]viathe Hbdic ligands. The other infinite chain, along [100], is formed through the H2pyttz ligands. Finally, the two kinds of chains are cross-linked, by sharing the CoIIcations, into a two-dimensional network. In the crystal, adjacent layers are further linked by O—H...N hydrogen bonds into a three-dimensional framework.

scholarly journals Crystal structure of bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction

2017 ◽  
Vol 73 (8) ◽  
pp. 1208-1212
Author(s):  
Anatoliy S. Burlov ◽  
Valery G. Vlasenko ◽  
Pavel V. Dorovatovskii ◽  
Yan V. Zubavichus ◽  
Victor N. Khrustalev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
Dimensional Network ◽  
Coordination Spheres ◽  
Solvent Molecules ◽  
Zinc Cations

The title compound, [Zn(C20H15N4O)2]·2.5CH3OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH3OH. The crystal structure is triclinic (space group P-1), with two complex molecules ( A and B ) and five methanol solvent molecules in the asymmetric unit. One of the five methanol solvent molecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Molecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl]-1H-pyrazol-5-olate ligands. In both molecules, the zinc cations have distorted tetrahedral coordination spheres, binding the monoanionic ligands through the pyrazololate O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazololate moiety. The molecular geometries of A and B are supported by intramolecular C—H...O and C—H...N hydrogen bonds. In the crystal of I, molecules form dimers both by secondary intermolecular Zn...O [3.140 (2)–3.553 (3) Å] and π–π stacking interactions. The dimers are linked by intermolecular hydrogen bonds through the solvent methanol molecules into a three-dimensional network.

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